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Compile Data Set for Download or QSAR

Found 288 hits with Last Name = 'elworthy' and Initial = 'tr'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220746
PNG
(CHEMBL292189)
Show SMILES Cc1[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)c1C
Show InChI InChI=1S/C21H27F3N4O3/c1-15-16(2)25-20(30)28(19(15)29)9-5-8-26-10-12-27(13-11-26)17-6-3-4-7-18(17)31-14-21(22,23)24/h3-4,6-7H,5,8-14H2,1-2H3,(H,25,30)
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0.0398n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220747
PNG
(CHEMBL56863)
Show SMILES FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C23H25F3N4O3/c24-23(25,26)16-33-20-9-4-3-8-19(20)29-14-12-28(13-15-29)10-5-11-30-21(31)17-6-1-2-7-18(17)27-22(30)32/h1-4,6-9H,5,10-16H2,(H,27,32)
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0.0631n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50408198
PNG
(CHEMBL91278)
Show SMILES CN(C)C(=O)c1cccnc1NCCCN1CCN(CC1)c1ccccc1OCC1CC1
Show InChI InChI=1S/C25H35N5O2/c1-28(2)25(31)21-7-5-12-26-24(21)27-13-6-14-29-15-17-30(18-16-29)22-8-3-4-9-23(22)32-19-20-10-11-20/h3-5,7-9,12,20H,6,10-11,13-19H2,1-2H3,(H,26,27)
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0.0794n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.126n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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0.126n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50408201
PNG
(CHEMBL88512)
Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(N)=O)CC1
Show InChI InChI=1S/C20H27N5O2/c1-27-18-8-3-2-7-17(18)25-14-12-24(13-15-25)11-5-10-23-20-16(19(21)26)6-4-9-22-20/h2-4,6-9H,5,10-15H2,1H3,(H2,21,26)(H,22,23)
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0.126n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220750
PNG
(CHEMBL55695)
Show SMILES Cc1c[nH]c(=O)n(CCCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C21H26F4N4O3/c1-15-13-26-20(31)29(19(15)30)7-3-2-6-27-8-10-28(11-9-27)17-5-4-16(22)12-18(17)32-14-21(23,24)25/h4-5,12-13H,2-3,6-11,14H2,1H3,(H,26,31)
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0.158n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220788
PNG
(CHEMBL417954)
Show SMILES Fc1ccc(N2CCN(CCCn3c(=O)[nH]cc(F)c3=O)CC2)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C19H21F5N4O3/c20-13-2-3-15(16(10-13)31-12-19(22,23)24)27-8-6-26(7-9-27)4-1-5-28-17(29)14(21)11-25-18(28)30/h2-3,10-11H,1,4-9,12H2,(H,25,30)
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0.251n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50160161
PNG
(5-Methyl-3-(3-{4-[2-(2,2,2-trifluoro-ethoxy)-pheny...)
Show SMILES Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C20H25F3N4O3/c1-15-13-24-19(29)27(18(15)28)8-4-7-25-9-11-26(12-10-25)16-5-2-3-6-17(16)30-14-20(21,22)23/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,24,29)
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0.251n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220744
PNG
(CHEMBL55290)
Show SMILES Cc1n[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C19H24F3N5O3/c1-14-17(28)27(18(29)24-23-14)8-4-7-25-9-11-26(12-10-25)15-5-2-3-6-16(15)30-13-19(20,21)22/h2-3,5-6H,4,7-13H2,1H3,(H,24,29)
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0.316n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50408248
PNG
(CHEMBL330060)
Show SMILES COc1ccccc1N1CCN(CCCNc2ccccc2C(=O)N(C)C)CC1
Show InChI InChI=1S/C23H32N4O2/c1-25(2)23(28)19-9-4-5-10-20(19)24-13-8-14-26-15-17-27(18-16-26)21-11-6-7-12-22(21)29-3/h4-7,9-12,24H,8,13-18H2,1-3H3
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0.398n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50408246
PNG
(CHEMBL92261)
Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C(C)(C)C)CC1
Show InChI InChI=1S/C24H34N4O2/c1-24(2,3)22(29)19-9-7-12-25-23(19)26-13-8-14-27-15-17-28(18-16-27)20-10-5-6-11-21(20)30-4/h5-7,9-12H,8,13-18H2,1-4H3,(H,25,26)
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0.398n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220785
PNG
(CHEMBL293149)
Show SMILES Cc1c[nH]c(=O)n(CCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C19H22F4N4O3/c1-13-11-24-18(29)27(17(13)28)9-6-25-4-7-26(8-5-25)15-3-2-14(20)10-16(15)30-12-19(21,22)23/h2-3,10-11H,4-9,12H2,1H3,(H,24,29)
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0.501n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50033112
PNG
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyla...)
Show SMILES COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1
Show InChI InChI=1S/C21H31N5O3/c1-16-19(23(2)21(28)24(3)20(16)27)22-10-7-11-25-12-14-26(15-13-25)17-8-5-6-9-18(17)29-4/h5-6,8-9,22H,7,10-15H2,1-4H3
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0.501n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50156552
PNG
(4-(2-((R)-2-((S,E)-3-hydroxy-4-(3-(methoxymethyl)p...)
Show SMILES COCc1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCc2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C25H29NO5/c1-31-17-20-4-2-3-19(15-20)16-23(27)11-9-22-10-12-24(28)26(22)14-13-18-5-7-21(8-6-18)25(29)30/h2-9,11,15,22-23,27H,10,12-14,16-17H2,1H3,(H,29,30)/b11-9+/t22-,23+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor


J Med Chem 47: 6124-7 (2004)


Article DOI: 10.1021/jm049290a
BindingDB Entry DOI: 10.7270/Q2P84BBQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220782
PNG
(CHEMBL53675)
Show SMILES CCc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C21H26F4N4O3/c1-2-15-13-26-20(31)29(19(15)30)7-3-6-27-8-10-28(11-9-27)17-5-4-16(22)12-18(17)32-14-21(23,24)25/h4-5,12-13H,2-3,6-11,14H2,1H3,(H,26,31)
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0.794n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50408205
PNG
(CHEMBL88435)
Show SMILES CN(C)C(=O)c1cccnc1NCCCN1CCN(CC1)c1ccccc1C
Show InChI InChI=1S/C22H31N5O/c1-18-8-4-5-10-20(18)27-16-14-26(15-17-27)13-7-12-24-21-19(9-6-11-23-21)22(28)25(2)3/h4-6,8-11H,7,12-17H2,1-3H3,(H,23,24)
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0.794n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50408242
PNG
(CHEMBL91876)
Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N2CCCC2)CC1
Show InChI InChI=1S/C24H33N5O2/c1-31-22-10-3-2-9-21(22)28-18-16-27(17-19-28)13-7-12-26-23-20(8-6-11-25-23)24(30)29-14-4-5-15-29/h2-3,6,8-11H,4-5,7,12-19H2,1H3,(H,25,26)
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0.794n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50408244
PNG
(CHEMBL93736)
Show SMILES COc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C)C)CC1
Show InChI InChI=1S/C22H31N5O2/c1-25(2)22(28)18-17-23-11-9-19(18)24-10-6-12-26-13-15-27(16-14-26)20-7-4-5-8-21(20)29-3/h4-5,7-9,11,17H,6,10,12-16H2,1-3H3,(H,23,24)
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0.794n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50408232
PNG
(CHEMBL91093)
Show SMILES CN(C)C(=O)c1cccnc1NCCCN1CCN(CC1)c1ccccc1OCC(C)(C)C
Show InChI InChI=1S/C26H39N5O2/c1-26(2,3)20-33-23-12-7-6-11-22(23)31-18-16-30(17-19-31)15-9-14-28-24-21(10-8-13-27-24)25(32)29(4)5/h6-8,10-13H,9,14-20H2,1-5H3,(H,27,28)
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0.794n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220786
PNG
(CHEMBL55629)
Show SMILES Cc1c[nH]c(=O)n(CC2(CN3CCN(CC3)c3ccccc3OCC(F)(F)F)CC2)c1=O
Show InChI InChI=1S/C22H27F3N4O3/c1-16-12-26-20(31)29(19(16)30)14-21(6-7-21)13-27-8-10-28(11-9-27)17-4-2-3-5-18(17)32-15-22(23,24)25/h2-5,12H,6-11,13-15H2,1H3,(H,26,31)
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0.794n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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0.794n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50408229
PNG
(CHEMBL329160)
Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1
Show InChI InChI=1S/C22H31N5O2/c1-25(2)22(28)18-8-6-11-23-21(18)24-12-7-13-26-14-16-27(17-15-26)19-9-4-5-10-20(19)29-3/h4-6,8-11H,7,12-17H2,1-3H3,(H,23,24)
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0.794n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
The compound was screened in vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50160165
PNG
(CHEMBL88272 | RS-17053 | [2-(2-Cyclopropylmethoxy-...)
Show SMILES CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1
Show InChI InChI=1S/C24H29ClN2O2/c1-24(2,14-18-15-26-21-10-9-19(25)13-20(18)21)27-11-12-28-22-5-3-4-6-23(22)29-16-17-7-8-17/h3-6,9-10,13,15,17,26-27H,7-8,11-12,14,16H2,1-2H3
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0.794n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50142480
PNG
((E)-7-[(1R,2S,3R)-3-Hydroxy-2-((E)-(S)-3-hydroxy-o...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)N1C\C=C\CCCC(O)=O
Show InChI InChI=1S/C19H31NO5/c1-2-3-6-9-15(21)11-12-16-17(22)14-18(23)20(16)13-8-5-4-7-10-19(24)25/h5,8,11-12,15-17,21-22H,2-4,6-7,9-10,13-14H2,1H3,(H,24,25)/b8-5+,12-11+/t15-,16-,17+/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity was determined against prostanoid EP4 receptor


Bioorg Med Chem Lett 14: 1655-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.063
BindingDB Entry DOI: 10.7270/Q2MK6CBC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50156551
PNG
(4-{2-[(2S)-2-[(3R)-3-[3-(4-chloro-2-methylphenyl)p...)
Show SMILES Cc1cc(Cl)ccc1-c1cccc(c1)[C@H](O)CC[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H30ClNO4/c1-19-17-24(30)9-12-26(19)22-3-2-4-23(18-22)27(32)13-10-25-11-14-28(33)31(25)16-15-20-5-7-21(8-6-20)29(34)35/h2-9,12,17-18,25,27,32H,10-11,13-16H2,1H3,(H,34,35)/t25-,27+/m0/s1
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0.940n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor


J Med Chem 47: 6124-7 (2004)


Article DOI: 10.1021/jm049290a
BindingDB Entry DOI: 10.7270/Q2P84BBQ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50156553
PNG
(4-(2-((R)-2-((S,E)-5-cyclobutyl-3-hydroxypent-1-en...)
Show SMILES O[C@@H](CCC1CCC1)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H29NO4/c24-20(11-6-16-2-1-3-16)12-9-19-10-13-21(25)23(19)15-14-17-4-7-18(8-5-17)22(26)27/h4-5,7-9,12,16,19-20,24H,1-3,6,10-11,13-15H2,(H,26,27)/b12-9+/t19-,20-/m0/s1
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1n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor


J Med Chem 47: 6124-7 (2004)


Article DOI: 10.1021/jm049290a
BindingDB Entry DOI: 10.7270/Q2P84BBQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220748
PNG
(CHEMBL59153)
Show SMILES Fc1ccc(N2CCN(CCCN3C(=O)CCNC3=O)CC2)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C19H24F4N4O3/c20-14-2-3-15(16(12-14)30-13-19(21,22)23)26-10-8-25(9-11-26)6-1-7-27-17(28)4-5-24-18(27)29/h2-3,12H,1,4-11,13H2,(H,24,29)
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1n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220779
PNG
(CHEMBL298838)
Show SMILES Fc1ccc(N2CCN(CCCn3c(=O)[nH]cc(Cl)c3=O)CC2)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C19H21ClF4N4O3/c20-14-11-25-18(30)28(17(14)29)5-1-4-26-6-8-27(9-7-26)15-3-2-13(21)10-16(15)31-12-19(22,23)24/h2-3,10-11H,1,4-9,12H2,(H,25,30)
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1n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50160152
PNG
(3-(3-{3-[4-Fluoro-2-(2,2,2-trifluoro-ethoxy)-pheny...)
Show SMILES Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C20H24F4N4O3/c1-14-12-25-19(30)28(18(14)29)6-2-5-26-7-9-27(10-8-26)16-4-3-15(21)11-17(16)31-13-20(22,23)24/h3-4,11-12H,2,5-10,13H2,1H3,(H,25,30)
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1.30n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220780
PNG
(CHEMBL299452)
Show SMILES Fc1ccc(N2CCN(CCCn3c(=O)cc[nH]c3=O)CC2)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C19H22F4N4O3/c20-14-2-3-15(16(12-14)30-13-19(21,22)23)26-10-8-25(9-11-26)6-1-7-27-17(28)4-5-24-18(27)29/h2-5,12H,1,6-11,13H2,(H,24,29)
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1.30n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50408202
PNG
(CHEMBL92901)
Show SMILES COc1ccccc1N1CCN(CCCNc2nc(C)cc(C)c2C(N)=O)CC1
Show InChI InChI=1S/C22H31N5O2/c1-16-15-17(2)25-22(20(16)21(23)28)24-9-6-10-26-11-13-27(14-12-26)18-7-4-5-8-19(18)29-3/h4-5,7-8,15H,6,9-14H2,1-3H3,(H2,23,28)(H,24,25)
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1.60n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50142482
PNG
(7-{(R)-2-[(E)-(S)-3-Hydroxy-4-(3-trifluoromethyl-p...)
Show SMILES O[C@@H](Cc1cccc(c1)C(F)(F)F)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C22H28F3NO4/c23-22(24,25)17-7-5-6-16(14-17)15-19(27)11-9-18-10-12-20(28)26(18)13-4-2-1-3-8-21(29)30/h5-7,9,11,14,18-19,27H,1-4,8,10,12-13,15H2,(H,29,30)/b11-9+/t18-,19+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Agonist activity against recombinant prostanoid EP4 receptor stably transfected in CHO cells


Bioorg Med Chem Lett 14: 1655-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.063
BindingDB Entry DOI: 10.7270/Q2MK6CBC
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220787
PNG
(CHEMBL418112)
Show SMILES COc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C20H24F4N4O4/c1-31-17-12-25-19(30)28(18(17)29)6-2-5-26-7-9-27(10-8-26)15-4-3-14(21)11-16(15)32-13-20(22,23)24/h3-4,11-12H,2,5-10,13H2,1H3,(H,25,30)
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1.60n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50408238
PNG
(CHEMBL89916)
Show SMILES COc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C(C)C)C(C)C)CC1
Show InChI InChI=1S/C26H39N5O2/c1-20(2)31(21(3)4)26(32)22-19-27-13-11-23(22)28-12-8-14-29-15-17-30(18-16-29)24-9-6-7-10-25(24)33-5/h6-7,9-11,13,19-21H,8,12,14-18H2,1-5H3,(H,27,28)
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1.60n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220773
PNG
(CHEMBL56489)
Show SMILES Cc1cc(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c(=O)[nH]1
Show InChI InChI=1S/C20H24F4N4O3/c1-14-11-18(29)28(19(30)25-14)6-2-5-26-7-9-27(10-8-26)16-4-3-15(21)12-17(16)31-13-20(22,23)24/h3-4,11-12H,2,5-10,13H2,1H3,(H,25,30)
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1.60n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50408192
PNG
(CHEMBL90869)
Show SMILES CN(C)C(=O)c1cccnc1N1CCC(CC1)NCCOc1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C23H29F3N4O3/c1-29(2)22(31)18-6-5-11-28-21(18)30-13-9-17(10-14-30)27-12-15-32-19-7-3-4-8-20(19)33-16-23(24,25)26/h3-8,11,17,27H,9-10,12-16H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50408239
PNG
(CHEMBL90874)
Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)NC(C)(C)C)CC1
Show InChI InChI=1S/C24H35N5O2/c1-24(2,3)27-23(30)19-9-7-12-25-22(19)26-13-8-14-28-15-17-29(18-16-28)20-10-5-6-11-21(20)31-4/h5-7,9-12H,8,13-18H2,1-4H3,(H,25,26)(H,27,30)
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1.60n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50408208
PNG
(CHEMBL88820)
Show SMILES COc1ccccc1N1CCN(CCC(=O)Nc2ccccc2C(=O)N(C)C)CC1
Show InChI InChI=1S/C23H30N4O3/c1-25(2)23(29)18-8-4-5-9-19(18)24-22(28)12-13-26-14-16-27(17-15-26)20-10-6-7-11-21(20)30-3/h4-11H,12-17H2,1-3H3,(H,24,28)
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1.60n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50408194
PNG
(CHEMBL90287)
Show SMILES CN(C)C(=O)c1cccnc1NCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H29N5O/c1-24(2)21(27)19-10-6-11-22-20(19)23-12-7-13-25-14-16-26(17-15-25)18-8-4-3-5-9-18/h3-6,8-11H,7,12-17H2,1-2H3,(H,22,23)
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2n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220749
PNG
(CHEMBL292403)
Show SMILES Cc1cn(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H25F3N4O3/c1-15-13-27(19(29)24-18(15)28)8-4-7-25-9-11-26(12-10-25)16-5-2-3-6-17(16)30-14-20(21,22)23/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,24,28,29)
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2n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50220747
PNG
(CHEMBL56863)
Show SMILES FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C23H25F3N4O3/c24-23(25,26)16-33-20-9-4-3-8-19(20)29-14-12-28(13-15-29)10-5-11-30-21(31)17-6-1-2-7-18(17)27-22(30)32/h1-4,6-9H,5,10-16H2,(H,27,32)
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2n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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2.5n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50408199
PNG
(CHEMBL88160)
Show SMILES CN(C)C(=O)c1cnc2n(C)nc(C)c2c1NCCCN1CCN(CC1)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C26H34F3N7O2/c1-18-22-23(19(25(37)33(2)3)16-31-24(22)34(4)32-18)30-10-7-11-35-12-14-36(15-13-35)20-8-5-6-9-21(20)38-17-26(27,28)29/h5-6,8-9,16H,7,10-15,17H2,1-4H3,(H,30,31)
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2.5n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
The compound's binding affinity against Alpha-2B adrenergic receptor from rat kidney homogenate in the presence of phentolamine


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220742
PNG
(CHEMBL57740)
Show SMILES CC(C)c1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C22H28F4N4O3/c1-15(2)17-13-27-21(32)30(20(17)31)7-3-6-28-8-10-29(11-9-28)18-5-4-16(23)12-19(18)33-14-22(24,25)26/h4-5,12-13,15H,3,6-11,14H2,1-2H3,(H,27,32)
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2.5n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50220785
PNG
(CHEMBL293149)
Show SMILES Cc1c[nH]c(=O)n(CCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C19H22F4N4O3/c1-13-11-24-18(29)27(17(13)28)9-6-25-4-7-26(8-5-25)15-3-2-14(20)10-16(15)30-12-19(21,22)23/h2-3,10-11H,4-9,12H2,1H3,(H,24,29)
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2.5n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50156547
PNG
(4-(2-((R)-2-((S)-3-hydroxyoct-1-enyl)-5-oxopyrroli...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H29NO4/c1-2-3-4-5-19(23)12-10-18-11-13-20(24)22(18)15-14-16-6-8-17(9-7-16)21(25)26/h6-10,12,18-19,23H,2-5,11,13-15H2,1H3,(H,25,26)/b12-10+/t18-,19-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor


J Med Chem 47: 6124-7 (2004)


Article DOI: 10.1021/jm049290a
BindingDB Entry DOI: 10.7270/Q2P84BBQ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50142476
PNG
(7-{(R)-2-[(E)-3-(4'-Chloro-2'-methyl-biphenyl-3-yl...)
Show SMILES Cc1cc(Cl)ccc1-c1cccc(c1)C(O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C27H32ClNO4/c1-19-17-22(28)10-13-24(19)20-7-6-8-21(18-20)25(30)14-11-23-12-15-26(31)29(23)16-5-3-2-4-9-27(32)33/h6-8,10-11,13-14,17-18,23,25,30H,2-5,9,12,15-16H2,1H3,(H,32,33)/b14-11+/t23-,25?/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity was determined against prostanoid EP4 receptor


Bioorg Med Chem Lett 14: 1655-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.063
BindingDB Entry DOI: 10.7270/Q2MK6CBC
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50408225
PNG
(CHEMBL312935)
Show SMILES CCOc1ccccc1OCCNC1CCN(CC1)c1ncccc1C(=O)N(C)C
Show InChI InChI=1S/C23H32N4O3/c1-4-29-20-9-5-6-10-21(20)30-17-14-24-18-11-15-27(16-12-18)22-19(8-7-13-25-22)23(28)26(2)3/h5-10,13,18,24H,4,11-12,14-17H2,1-3H3
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3.20n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50156554
PNG
(4-(2-((R)-2-((S,E)-3-hydroxyoct-1-enyl)-5-oxopyrro...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCSCCCC(O)=O
Show InChI InChI=1S/C18H31NO4S/c1-2-3-4-6-16(20)10-8-15-9-11-17(21)19(15)12-14-24-13-5-7-18(22)23/h8,10,15-16,20H,2-7,9,11-14H2,1H3,(H,22,23)/b10-8+/t15-,16-/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor


J Med Chem 47: 6124-7 (2004)


Article DOI: 10.1021/jm049290a
BindingDB Entry DOI: 10.7270/Q2P84BBQ
More data for this
Ligand-Target Pair
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